# generated using pymatgen
data_ZrSnIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.35153635
_cell_length_b   7.35153624
_cell_length_c   7.40606333
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999595
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSnIr
_chemical_formula_sum   'Zr6 Sn6 Ir6'
_cell_volume   346.63649303
_cell_formula_units_Z   6
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Zr  Zr0  1  0.40445337  0.01887737  0.25000000  1.0
  Zr  Zr1  1  0.59554663  0.61442500  0.75000000  1.0
  Zr  Zr2  1  0.61442500  0.59554663  0.25000000  1.0
  Zr  Zr3  1  0.98112263  0.38557500  0.25000000  1.0
  Zr  Zr4  1  0.01887737  0.40445337  0.75000000  1.0
  Zr  Zr5  1  0.38557500  0.98112263  0.75000000  1.0
  Sn  Sn6  1  0.27038219  0.27038219  0.50000000  1.0
  Sn  Sn7  1  0.27038219  0.27038219  -0.00000000  1.0
  Sn  Sn8  1  0.72961781  -0.00000000  -0.00000000  1.0
  Sn  Sn9  1  -0.00000000  0.72961781  0.50000000  1.0
  Sn  Sn10  1  0.72961781  -0.00000000  0.50000000  1.0
  Sn  Sn11  1  -0.00000000  0.72961781  -0.00000000  1.0
  Ir  Ir12  1  0.66666700  0.33333300  0.53854288  1.0
  Ir  Ir13  1  0.66666700  0.33333300  0.96145712  1.0
  Ir  Ir14  1  0.33333300  0.66666700  0.03854288  1.0
  Ir  Ir15  1  0.33333300  0.66666700  0.46145712  1.0
  Ir  Ir16  1  -0.00000000  -0.00000000  0.75000000  1.0
  Ir  Ir17  1  -0.00000000  -0.00000000  0.25000000  1.0